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17/5/2012



Saiu o JBCS número 5 - Volume 23




The Future We Want

The title of this editorial is the same given to the main document to be discussed, two months from now, at the Earth Summit 2012, the so-called Rio+20, in allusion to the 20th anniversary of the United Nations Conference on Environment and Development, also known as RIO-92. The 1992 Summit, with its 27 principles, has been the most influential one because, beyond the environment itself, it placed human beings as the focus for the sustainable development, bringing, thus, for the discussion, issues such as hunger, diseases, disarmament, racial prejudice and genocide.

(Read more at Editorial)


Table of Contents with Graphical Abstracts



COVER ARTICLE

Structure and Peroxidase Activity of Ferric Streptomyces clavuligerus orf10-encoded Protein P450CLA: UV-Visible, CD, MCD and EPR Spectroscopic Characterization
Leandro S. Goto, Carlos O. Hokka, José F. Lima, Tatiana Prieto, Ana Paula U. Araújo, Iseli L. Nantes and Otaciro R. Nascimento
Soret bands of two states of recombinant orf10-encoded P450-camphor like protein (P450CLA) of Streptomyces clavuligerus expressed in Escherichia coli Rosetta: the resting form (light gray) and the finger print of this hemeprotein characterized by Soret band peaking at 450 nm for the ferrous-CO complex (pink). Cytochrome P450 CLA is involved in the clavulanic acid biosynthetic pathway (color structure at right side) able to inhibit β-lactamase of penicillin-resistant bacteria. See details in the Article Structure and Peroxidase Activity of Ferric Streptomyces clavuligerus orf10-encoded Protein P450CLA: UV-Visible, CD, MCD and EPR Spectroscopic Characterization by Goto et al. on page 913

>> Editorial(366 KB)
O Futuro que Queremos
Vitor F. Ferreira
J. Braz. Chem. Soc. 2012, 23, 793.

ARTICLES

Interference Standard Applied to Sulfur Determination in Biodiesel Microemulsions by ICP-QMS
Renata S. Amais, George L. Donati and Joaquim A. Nóbrega
J. Braz. Chem. Soc. 2012, 23, 797.



The interference standard method (IFS) is applied by the first time for sulfur determination in biodiesel microemulsions
>> PDF (473 KB)
Published online: March 20, 2012

Dialkylphosphorylhydrazones as Potent Tyrosinase Inhibitors
Janaína M. R. Caixeiro, Vinicius T. Gonçalves, Márcia C. C. de Oliveira, Carlos M. R. Sant’Anna,
Victor M. Rumjanek and João B. N. DaCosta
J. Braz. Chem. Soc. 2012, 23, 804.

The inhibition of the enzyme tyrosinase by some new organophosphorus compounds was investigated with the aim of developing potential drugs useful for the treatment of various skin disorders. Some compounds were found to be more active than the commercial ascorbic acid
>> PDF (699 KB)
Published online: March 22, 2012

Effect of Calcium Phosphate Coating on Polyamide Substrate for Biomaterial Applications
Lucimara C. Bandeira, Kátia J. Ciuffi, Paulo S. Calefi, Eduardo J. Nassar, Jorge V. L. Silva, Marcelo Oliveira, Izaque A. Maia, Isabel M. Salvado and Maria Helena V. Fernandes
J. Braz. Chem. Soc. 2012, 23, 810.

Sol-gel process used to prepare calcium coating as bioactive materials
>> PDF (1,82 MB)
Published online: March 27, 2012

Molecular Identification and Phylogenetic Analysis of Egletes viscosa (L.) Less.,
a Traditional Medicinal Plant from Northeastern Brazil
José M. M. Batista, Davi C. Torres, Daniel M. de M. Jorge, Carlos E. A. Soares, Walderly M. Bezerra, Edilberto R. Silveira and Thalles B. Grangeiro
J. Braz. Chem. Soc. 2012, 23, 818.

There are two chemotypes of "macela" (Egletes viscosa (L.) Less.), whose essential oils are characterized by the presence of trans-pinocarveyl acetate (chemotype A) or cis-isopinocarveyl acetate (chemotype B). Analysis of ITS/5.8S DNA sequences provides an effective and accurate strategy for identifying the chemotypes from E. viscosa
>> PDF (774 KB) / >> Supplementary Information (162 KB)
Published online: March 29, 2012

Knoevenagel Condensation of Aromatic Aldehydes with Ethyl 4-Chloro-3-oxobutanoate in Ionic Liquids
Bruno R. S. de Paula, Dávila S. Zampieri, Julio Zukerman-Schpector, Edward R. T. Tiekink,
José Augusto R. Rodrigues and Paulo J. S. Moran
J. Braz. Chem. Soc. 2012, 23, 825.
Knoevenagel condensations of aromatic aldehydes with ethyl 4-chloro-3-oxobutanoate were carried out in ionic liquids to give ethyl (E)/(Z)-2-chloroacetyl-3-arylpropenoates. The ionic liquid [bmim(NTf2)] was reused up to 4 times without loss in product yields, and an unequivocal methodology of (E)/(Z)-structural analysis by 13C NMR (nuclear magnetic resonance) is presented
>> PDF (424 KB) / >> Supplementary Information (2,40 MB)
Published online: March 29, 2012

Electrooxidation of Ethanol on Pt and PtRu Surfaces Investigated by ATR Surface-Enhanced Infrared Absorption Spectroscopy
Márcio F. Silva, Bruno C. Batista, Emerson Boscheto, Hamilton Varela and Giuseppe A. Camara
J. Braz. Chem. Soc. 2012, 23, 831.



ATR-SEIRAS experiments performed on Pt and PtRu electrodeposits show that CO is formed at low potentials (~ 0.1 V) on both surfaces and remains adsorbed, blocking surface sites and thus inhibiting ethanol oxidation. Kinetic modeling suggests that CO adsorbed layer is not influenced by the presence of Ru, whilst its oxidation is clearly favored in the presence of this metal
>> PDF (650 KB)
Published online: April 3, 2012

Evaluation of Metal Ions in Rice Samples: Extraction and Direct Determination by ICP OES
Andrea Oliveira, Nivaldo Baccan and Solange Cadore
J. Braz. Chem. Soc. 2012, 23, 838.
The extraction of metal ions present in rice samples with ammoniacal solution of EDTA (pH 10) as extracting agent allowed the determination of P, K, Mg, Ca, Zn, Mn, Cu and Mo in rice samples of type "integral", "agulhinha" and "parboiled"
>> PDF (372 KB)
Published online: April 3, 2012

Assessment of Inorganic Contaminants in Golden Mussel (Limnoperna fortunei) in Southern Brazil
Éderson R. Pereira, Bruno M. Soares, João P. Vieira, Ana C. G. Mai, Rochele S. Picoloto, Edson I. Muller, Erico M. M. Flores and Fábio A. Duarte
J. Braz. Chem. Soc. 2012, 23, 846.



Bivalves have been widely used as sentinel organisms for environmental monitoring of trace and major element concentration in aquatic ecosystems. The simultaneous characterization of this biomarker in different locations can provide information on the pollution status in the region
>> PDF (336 KB) / >> Supplementary Information (437 KB)
Published online: April 3, 2012

Synthesis, Urease Inhibition, Antioxidant and Antibacterial Studies of Some
4-Amino-5-aryl-3H-1,2,4-triazole-3-thiones and their 3,6-Disubstituted 1,2,4-Triazolo[3,4-b]1,3,4-thiadiazole Derivatives
Muhammad Hanif, Muhammad Saleem, Muhammad Tahir Hussain, Nasim Hasan Rama, Sumera Zaib, Muhammad Adil M. Aslam, Peter G. Jones and Jamshed Iqbal
J. Braz. Chem. Soc. 2012, 23, 854.



A new series of 4-amino-5-aryl-3H-1,2,4-triazole-3-thiones was condensed with different substituted aromatic acids to yield 3,6-disubstituted-1,2,4-triazolo[3,4-b]1,3,4-thiadiazoles. The synthesized compounds were screened for their urease inhibition, antioxidant and antibacterial activities. Some compounds showed excellent urease inhibition activities more than the standard drug
>> PDF (409 KB) / >> Supplementary Information (2,82 MB)
Published online: April 10, 2012

Estimating Cocaine Consumption in the Brazilian Federal District (FD) by Sewage Analysis
Adriano O. Maldaner, Luciana L. Schmidt, Marco A. F. Locatelli, Wilson F. Jardim, Fernando F. Sodré, Fernanda V. Almeida, Carlos Eduardo B. Pereira and Cristiano M. Silva
J. Braz. Chem. Soc. 2012, 23, 861.
The consumption of cocaine in the Brazilian Federal District, via sewage analysis, was estimated in 1.0 ton year-1. Sampling at different wastewater treatment plants allowed the detection of areas with higher consumption
>> PDF (316 KB) / >> Supplementary Information (498 KB)
Published online: April 10, 2012

Support Effect on Carbon Nanotube Growth by Methane Chemical Vapor Deposition on Cobalt Catalysts
Hugo A. Oliveira, Dante F. Franceschini and Fabio B. Passos
J. Braz. Chem. Soc. 2012, 23, 868.



The support influences the activity and selectivity of cobalt catalysts on carbon nanotube production. Co/Al2O3 showed the highest total carbon yield and the Co/TiO2 showed the highest selectivity (80%) towards single walled carbon nanotube formation
>> PDF (975 KB)
Published online: April 10, 2012

Synthesis and Thermal Behavior of New Liquid Crystals Arylaldoxime Esters
Aline Tavares, Bárbara C. Arruda, Elvis S. Boes, Valter Stefani, Hubert K. Stassen,
Leandra F. Campo, Ivan H. Bechtold and Aloir A. Merlo
J. Braz. Chem. Soc. 2012, 23, 880.

The synthesis of a series of unstable fluorescent liquid-crystalline arylaldoxime esters 6a-d and 8 is reported. The chemical stability and liquid-crystalline as well as the photophysical properties of the title compounds are described and showed to be dependent on the heating/cooling cycles
>> PDF (0,97 MB) / >> Supplementary Information (2,00 MB)
Published online: April 17, 2012

Fatty Acid Synthase Inhibitors Isolated from Punica granatum L.
He-Zhong Jiang, Qing-Yun Ma, Hui-Jin Fan, Wen-Juan Liang, Sheng-Zhuo Huang, Hao-Fu Dai,
Peng-Cheng Wang, Xiao-Feng Ma and You-Xing Zhao
J. Braz. Chem. Soc. 2012, 23, 889.



Bioassay-guided chemical investigation on the EtOH extract of the peels of Punica granatum led to the isolation of 17 compounds including one new oleanane-type triterpene named punicaone. Flavogallonic acid exhibited the strong fatty acid synthase (FAS) inhibitory activity with IC50 10.3 µmol -1
>> PDF (328 KB) / >> Supplementary Information (1,15 MB)
Published online: April 17, 2012

Correlation Between Electrochemical and Theoretical Studies on the Leishmanicidal Activity of Twelve Morita-Baylis-Hillman Adducts
Yen G. de Paiva, Antônio A. de Souza, Claudio G. Lima-Junior, Fábio P. L. Silva, Edilson B. A. Filho, Camila C. de Vasconcelos, Fabiane C. de Abreu, Marília O. F. Goulart and Mário L. A. A. Vasconcellos
J. Braz. Chem. Soc. 2012, 23, 894.

This work presents electrochemical studies, in aprotic media, of twelve Morita-Baylis-Hillman adducts (MBHA) with significant leishmanicidal activity, together with conformational calculations. Ortho adducts present facilitated reduction in comparison to the other isomers and higher leishmanicidal activity. Molecular hardness (N) and atomic charges (QN) values corroborate the obtained experimental data
>> PDF (1,67 MB) / >> Supplementary Information (950 KB)
Published online: April 17, 2012

Studies on the Chemical Behavior of 3-(Nitroacetyl)-1-ethyl-4-hydroxyquinolin-2(1H)-one towards some Electrophilic and Nucleophilic Reagents
Magdy A. Ibrahim, Hany M. Hassanin, Yassin A. Gabr and Youssef A. Alnamer
J. Braz. Chem. Soc. 2012, 23, 905.



A variety of heterocyclic systems linked 1-ethylquinolin-2(1H)-one, were prepared from reaction of 3-(nitroacetyl)-1-ethyl-4-hydroxyquinolin-2(1H)-one with some electrophilic and nucleophilic reagents
>> PDF (456 KB) / >> Supplementary Information (745 KB)
Published online: April 17, 2012

Structure and Peroxidase Activity of Ferric Streptomyces clavuligerus orf10-encoded Protein P450CLA: UV-Visible, CD, MCD and EPR Spectroscopic Characterization
Leandro S. Goto, Carlos O. Hokka, José F. Lima, Tatiana Prieto, Ana Paula U. Araújo, Iseli L. Nantes and Otaciro R. Nascimento
J. Braz. Chem. Soc. 2012, 23, 913.
The ferrous recombinant orf10-encoded P450-camphor like protein (the P450CLA) of Streptomyces clavuligerus exhibits the fingerprint red shift to 450 nm after complexation with CO and peroxidase activity towards tert-butylhydroperoxide
>> PDF (564 KB) / >> Supplementary Information (947 KB)
Published online: April 19, 2012

Size-Segregated Particulate Matter and Carboxylic Acids over Urban and Rural Sites in Londrina City, Brazil
Adriana de M. Freitas, Leila D. Martins and Maria Cristina Solci
J. Braz. Chem. Soc. 2012, 23, 921.



The results indicated that primary sources of vehicular emissions were the dominant source of carboxylic acids in urban and rural PM2,5 in Londrina City. Moreover, backward trajectories indicated transport of pollutants from São Paulo to Londrina

>> PDF (980 KB) / >> Supplementary Information (1,08 MB)
Published online: April 19, 2012

Reactivity of Glycerol/Acetone Ketal (Solketal) and Glycerol/Formaldehyde Acetals toward Acid-Catalyzed Hydrolysis
Leonardo P. Ozorio, Rafael Pianzolli, Maria Beatriz S. Mota and Claudio J. A. Mota
J. Braz. Chem. Soc. 2012, 23, 931.



The acid-catalyzed hydrolysis of the glycerol/acetone ketal (solketal) and glycerol/ formaldehyde indicated that solketal was significantly more reactive than glycerol/ formaldehyde acetals. DFT calculations of the ketal and acetal isomers explain the experimental distribution
>> PDF (651 KB)
Published online: April 19, 2012

Determination of Tetracycline in Environmental Water Samples at a Graphite-Polyurethane Composite Electrode
Carolina M. F. Calixto, Priscila Cervini and Éder T. G. Cavalheiro
J. Braz. Chem. Soc. 2012, 23, 938.



In the present work, a graphite-polyurethane composite electrode was used for the determination of tetracycline, an antibiotic widely used in animal and human antibacterial treatment. Once in environmental waters, tetracycline can be a potential pollutant from veterinary/medical use as well as in pharmaceutical industry wastes
>> PDF (375 KB)
Published online: April 19, 2012

Speciation of Fe(II) and Fe(III) by using Dispersive Liquid-Liquid Microextraction and Flame Atomic Absorption Spectrometry
Soleiman Bahar and Razieh Zakerian
J. Braz. Chem. Soc. 2012, 23, 944.



The figure shows the efficiency of dispersive liquid-liquid microextraction method for the extraction of iron ion with oxine ligand using different extraction (CH3Cl, CCl4, CH2Cl2 and CS2) and dispersive (methanol, ethanol, acetone, acetonitrile and THF) solvents
>> PDF (391 KB)
Published online: April 19, 2012

Effect of Fluorination Treatment on Electrochemical Properties of M1Ni3.5Co0.6Mn0.4Al0.5 Hydrogen Storage Alloy
Hongxia Huang and Kelong Huang
J. Braz. Chem. Soc. 2012, 23, 951.
Fluorination treatment improves the discharge capacity and cycle durability of M1Ni3.5Co0.6Mn0.4Al0.5 alloy, which is attributed to a relatively lower cell volume changes during hydriding/dehydriding. Moreover, the electrochemical reaction resistance of the alloy electrode decreases after the treatment
>> PDF (1,12 MB)
Published online: April 24, 2012

Multivariate Treatment of LIBS Data of Prehistoric Paintings
Flávia de S. L. Borba, Juliana Cortez, Viviane K. Asfora, Celio Pasquini, Maria Fernanda Pimentel, Anne-Marie Pessis and Helen J. Khoury
J. Braz. Chem. Soc. 2012, 23, 958.
Prehistoric painting samples from Toca da Extrema II Archaeological Site (Piauí State, Brazil) and Xique-Xique Archaeological Site (Rio Grande do Norte State, Brazil). Score plot of PCA carried on the LIBS (laser-induced breakdown spectroscopy) spectra set of Toca da Extrema II Archaeological Site painting
>> PDF (944 KB) / >> Supplementary Information (432 KB)
Published online: April 24, 2012

SHORT REPORTS

O-Iodoxybenzoic Acid in Water: Optimized Green Alternative for Multicomponent One-Pot Synthesis of 2-Amino-3,5-dicarbonitrile-6-thiopyridines
Santosh Takale, Jaidas Patil, Vikas Padalkar, Rajaram Pisal and Atul Chaskar
J. Braz. Chem. Soc. 2012, 23, 966.



Environmentally benign and eco-friendly protocol has been developed for the synthesis of 2-amino-3,5-dicarbonitrile-6-thio-pyridine from aldehyde, malononitrile and thiophenol
>> PDF (272 KB) / >> Supplementary Information (578 KB)
Published online: March 27, 2012

Determination of Phenol and o-Cresol in Soil Extracts by Flow Injection Analysis with Spectrophotometric Detection
Rafael G. Dolatto, Iara Messerschmidt, Betânia F. Pereira, Carlos A. P. Silveira and Gilberto Abate
J. Braz. Chem. Soc. 2012, 23, 970.



The official spectrophotometric method (APHA) for quantification of total phenol in water was adapted to flow injection analysis (FIA) for phenol and o-cresol determinations in soil extracts. As shown in the figure, a good agreement between the results was verified in a recovery study, with similar limit of quantification and sampling rate, near 50 analyses per h
>> PDF (400 KB)
Published online: April 3, 2012

Cytotoxic Sesquiterpene Lactones and other Constituents of Centaurea omphalotricha
El Hadj Kolli, Francisco León, Fadila Benayache, Sara Estévez, José Quintana, Francisco Estévez, Ignacio Brouard, Jaime Bermejo and Samir Benayache
J. Braz. Chem. Soc. 2012, 23, 977.


Phytochemical study of the aerial parts of Centaurea omphalotricha Coss. & Durieu ex Batt. et Trab., an Algerian endemic plant, afforded three new sesquiterpene lactones together with twelve known compounds, some of them display strong cytotoxic properties in human leukemia cells
>> PDF (318 KB) / >> Supplementary Information (10,4 MB)
Published online: April 19, 2012





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